SCHEMBL4152631

SCHEMBL4152631

O=C(NCc1cccc(Oc2ccccc2)n1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.60
LMNA P02545 4/20 0.53
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 1/20 0.51
HTT P42858 1/20 0.51
MMP13 P45452 1/20 0.51
KDM4E B2RXH2 2/20 0.48
KLKB1 P03952 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
LOX P28300 2/20 0.46
LOXL2 Q9Y4K0 2/20 0.46
MMP1 P03956 1/20 0.45
MAPT P10636 1/20 0.45
FFAR1 O14842 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12352675 0.82 MAPK14 (0.56) MAPK14LMNAHTTKLKB1MEN1
SCHEMBL7994137 0.75 MEN1 (0.68) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL29941957 0.75 MAPK14 (1.00) MAPK14LMNAHPGDSMN1; SMN2CYP3A4
SCHEMBL11275806 0.74 L3MBTL1 (0.43) HPGDSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL11393048 0.74 TRPV3 (0.47) SMN1; SMN2ALDH1A1FFAR1
SCHEMBL2893839 0.74 F2 (0.46) SMN1; SMN2HTTALDH1A1NPC1RAB9A
SCHEMBL11175776 0.74 KCNH2 (0.44) HPGDSMN1; SMN2CYP3A4HTTMEN1
Acetic Acid SCHEMBL11368795 0.74 P2RX3 (0.41) KDM4ENPC1RAB9A
SCHEMBL4152634 0.74 OPRM1 (0.49) SMN1; SMN2HTTKDM4EMEN1KMT2A
SCHEMBL10871695 0.74 FFAR1 (0.53) FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MAPK14 2841/4885LMNA 698/4885HPGD 1490/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAPK14 3031/4885LMNA 2208/4885HPGD 2725/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.